KEGG   COMPOUND: C11641Help
Entry
C11641                      Compound                               

Name
3',4'-Anhydrovinblastine
Formula
C46H56N4O8
Exact mass
792.4098
Mol weight
792.9588
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Indole alkaloid biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11641  3',4'-Anhydrovinblastine
BRITE hierarchy
Other DBs
CAS: 
38390-45-3
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   C1z C    28.9933  -18.3453
            2   C1y C    30.1359  -17.6757
            3   C1y C    28.9992  -19.6624
            4   C8y C    26.7200  -18.3453
            5   C1x C    28.1478  -17.2552
            6   C1z C    31.2901  -18.3395
            7   N1y N    30.1242  -16.3410
            8   C1z C    30.1475  -20.3217
            9   N1y N    27.8508  -20.3217
            10  C8y C    26.7200  -19.6624
            11  C8x C    25.5787  -17.6931
            12  C1x C    28.8187  -16.2653
            13  C1y C    31.3017  -19.6683
            14  C2x C    32.4326  -17.6641
            15  C1b C    32.3976  -18.9812
            16  C1x C    31.2841  -15.6701
            17  C7a C    31.0513  -21.2243
            18  C1a C    27.2045  -21.4222
            19  C8x C    25.5787  -20.3276
            20  C8y C    24.4594  -18.3395
            21  O7a O    34.4450  -21.3588
            22  C2x C    32.4383  -16.3293
            23  C1a C    33.5855  -18.0538
            24  O7a O    30.8929  -22.5066
            25  O6a O    32.3033  -21.5154
            26  C8y C    24.4594  -19.6624
            27  C1z C    21.2299  -15.3031
            28  O2a O    23.3343  -20.3029
            29  C8y C    20.1003  -14.5334
            30  C1x C    22.5063  -14.5568
            31  C7a C    20.8688  -16.6147
            32  C1a C    22.2095  -19.6508
            33  C8y C    20.1003  -13.1754
            34  N4x N    18.9635  -15.2158
            35  C1y C    22.5063  -13.2570
            36  O7a O    19.4178  -17.0747
            37  O6a O    21.7086  -17.6583
            38  C8y C    17.7629  -13.1754
            39  C1x C    19.3652  -12.0690
            40  C8y C    17.7629  -14.5334
            41  C1x C    21.3651  -12.6398
            42  C2x C    23.6720  -12.4360
            43  C1a C    18.5442  -18.5084
            44  C8x C    16.6087  -12.5059
            45  C1x C    20.1468  -11.0720
            46  C8x C    16.6087  -15.2158
            47  N1y N    21.3651  -11.3865
            48  C2y C    23.6430  -11.2818
            49  C8x C    15.5185  -13.1754
            50  C8x C    15.5185  -14.5334
            51  C1x C    22.5006  -10.6296
            52  C1b C    24.8468  -10.5686
            53  C1a C    26.0699  -11.2485
            54  O1a O    29.6618  -21.9331
            55  C1a C    29.5723  -23.0654
            56  C7a C    35.6564  -20.6569
            57  C1a C    36.8470  -21.3420
            58  O6a O    35.6545  -19.2502
BOND        66
            1     1   4 1
            2     1   5 1 #Up
            3     2   6 1
            4     2   7 1
            5     3   8 1
            6     3   9 1
            7     4  10 2
            8     4  11 1
            9     5  12 1
            10    6  13 1
            11    6  14 1
            12    6  15 1 #Down
            13    7  16 1
            14    8  17 1 #Down
            15    9  18 1
            16   10  19 1
            17   11  20 2
            18   13  21 1 #Up
            19   14  22 2
            20   15  23 1
            21   17  24 1
            22   17  25 2
            23   19  26 2
            24   27  20 1 #Down
            25   26  28 1
            26   27  29 1
            27   27  30 1
            28   27  31 1 #Up
            29   28  32 1
            30   29  33 2
            31   29  34 1
            32   30  35 1
            33   31  36 1
            34   31  37 2
            35   33  38 1
            36   33  39 1
            37   34  40 1
            38   35  41 1 #Down
            39   35  42 1
            40   36  43 1
            41   38  44 1
            42   39  45 1
            43   40  46 1
            44   47  41 1 #Down
            45   42  48 2
            46   44  49 2
            47   46  50 2
            48   47  51 1
            49    7  12 1
            50    8  13 1
            51    9  10 1
            52   16  22 1
            53   20  26 1
            54   38  40 2
            55   45  47 1
            56   48  51 1
            57   49  50 1
            58   48  52 1
            59    1   2 1
            60   52  53 1
            61    1   3 1
            62    8  54 1 #Up
            63   24  55 1
            64   21  56 1
            65   56  57 1
            66   56  58 2

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